3BY0

Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0036094	molecular_function	small molecule binding
B	0036094	molecular_function	small molecule binding
C	0036094	molecular_function	small molecule binding

Functional Information from PDB Data

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 531

Chain	Residue
A	ASN164
A	HIS165
C	LYS75

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 532

Chain	Residue
A	LYS75
C	PRO162
C	ASN164
C	HIS165

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DBS A 191

Chain	Residue
A	PHE123
A	LYS125
A	TYR132
A	LYS134
A	ALA40
A	TYR106

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DBH A 192

Chain	Residue
A	SER68
A	LYS134

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DBH A 193

Chain	Residue
A	ALA81
A	TYR100
A	LEU103
A	TYR106
A	LYS125

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DBH B 201

Chain	Residue
B	ALA40
B	TYR106
B	LYS134

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DBS C 301

Chain	Residue
C	ILE41
C	TYR106
C	PHE123
C	LYS125
C	TYR132
C	LYS134

---

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE DBS C 302

Chain	Residue
C	SER68
C	ALA79
C	ALA81
C	PHE83
C	LEU94
C	TYR100
C	TYR106
C	LYS125

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DBH C 303

Chain	Residue
C	ARG72
C	LYS134

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 601

Chain	Residue
A	ASN114
A	HIS118
B	ASN116

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 602

Chain	Residue
C	THR93
C	LEU94
C	SER105
C	TYR106

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 603

Chain	Residue
C	LYS59
C	GLU60
C	ASP61

---

Functional Information from PROSITE/UniProt

site_id	PS00213
Number of Residues	14
Details	LIPOCALIN Lipocalin signature. NFQdnQFQGKWYVV

Chain	Residue	Details
A	ASN21-VAL34

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	BINDING: BINDING => ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U

Chain	Residue	Details
A	TYR52
B	TYR52
C	TYR52

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0007744|PDB:3CMP

Chain	Residue	Details
A	TYR106
A	LYS134
B	TYR106
B	LYS134
C	TYR106
C	LYS134

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:15642259, ECO:0007744|PDB:1X89, ECO:0007744|PDB:1X8U

Chain	Residue	Details
A	LYS125
A	TYR138
B	LYS125
B	TYR138
C	LYS125
C	TYR138

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	MOD_RES: Pyrrolidone carboxylic acid => ECO:0000269|PubMed:7683678

Chain	Residue	Details
A	GLN1
B	GLN1
C	GLN1

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10684642, ECO:0000269|PubMed:15084671, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:16740002, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:7683678, ECO:0007744|PDB:1DFV, ECO:0007744|PDB:1QQS

Chain	Residue	Details
A	ASN65
B	ASN65
C	ASN65

---